Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccc(OC)cc1)C(C)(C)C |
MW: | 434.458 |
Fraction sp3: | 0.3 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 58.64 |
cLogP: | 5.2864 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
RAL-MED-9a5eb9cb-18
0.671
RAL-MED-9a5eb9cb-3
0.598
RAL-MED-9a5eb9cb-17
0.598
LON-WEI-b8d98729-27
0.563
RAL-MED-9a5eb9cb-13
0.519
RIT-AID-af4ac3d4-1
0.478
RAL-MED-9a5eb9cb-2
0.473
LON-WEI-d1c9908a-7
0.473
RAL-MED-9a5eb9cb-4
0.468
NIM-NMI-8bb27a2b-25
0.453
RAL-MED-9a5eb9cb-1
0.452
RAL-MED-9a5eb9cb-5
0.444
WIL-UNI-a125ac6f-1
0.418
LON-WEI-b8d98729-12
0.417
LON-WEI-b8d98729-37
0.406
BRU-LEF-973da26b-1
0.404
RAL-MED-9a5eb9cb-9
0.398
RAL-MED-9a5eb9cb-10
0.398
LON-WEI-b8d98729-47
0.392
RAL-MED-9a5eb9cb-14
0.389
ERI-UCB-fbdd3ea1-4
0.385
RAL-MED-9a5eb9cb-12
0.385
NIM-NMI-8bb27a2b-26
0.382
LON-WEI-d1c9908a-5
0.380
NIM-NMI-8bb27a2b-19
0.379
RAL-MED-9a5eb9cb-6
0.375
BRU-LEF-e1854a6f-1
0.371
LON-WEI-adc59df6-12
0.366
NIM-NMI-8bb27a2b-24
0.365
NIM-NMI-8bb27a2b-23
0.364
LON-WEI-8f408cad-10
0.359
NIM-NMI-8bb27a2b-22
0.357
LON-WEI-adc59df6-41
0.357
RAL-MED-9a5eb9cb-11
0.356
LON-WEI-b8d98729-25
0.352
NIM-NMI-8bb27a2b-18
0.350
NIM-NMI-8bb27a2b-17
0.347
RAL-MED-9a5eb9cb-8
0.347
NIM-NMI-8bb27a2b-16
0.347
LON-WEI-adc59df6-13
0.345
BRU-LEF-8bac3ce8-1
0.343
MAR-TRE-6c5ef77a-25
0.342
RAL-MED-9a5eb9cb-7
0.341
LON-WEI-b8d98729-41
0.340
LON-WEI-adc59df6-37
0.340
LON-WEI-adc59df6-15
0.340
LON-WEI-adc59df6-58
0.337
NIM-NMI-8bb27a2b-21
0.337
ERI-UCB-fbdd3ea1-1
0.333
ERI-UCB-fbdd3ea1-2
0.333
LON-WEI-d1c9908a-3
0.333
LON-WEI-b8d98729-39
0.333
RAL-MED-9a5eb9cb-15
0.333
LON-WEI-b8d98729-35
0.330
LON-WEI-adc59df6-45
0.327
LON-WEI-b8d98729-33
0.327
NIM-NMI-8bb27a2b-15
0.327
NIM-NMI-8bb27a2b-20
0.324
LON-WEI-babf2c61-9
0.318
NIM-NMI-8bb27a2b-28
0.317
LON-WEI-adc59df6-59
0.316
LON-WEI-adc59df6-3
0.315
LON-WEI-adc59df6-91
0.313
LON-WEI-adc59df6-51
0.312
NIM-NMI-8bb27a2b-8
0.309
LON-WEI-adc59df6-46
0.308
LON-WEI-adc59df6-18
0.308
LON-WEI-babf2c61-6
0.306
LON-WEI-adc59df6-24
0.306
LON-WEI-adc59df6-21
0.305
LON-WEI-adc59df6-31
0.303
NIM-NMI-8bb27a2b-27
0.303
LON-WEI-babf2c61-8
0.300
LON-WEI-adc59df6-60
0.299
LON-WEI-babf2c61-5
0.297
LON-WEI-adc59df6-26
0.297
LON-WEI-8f408cad-8
0.295
RIT-AID-a497c99f-1
0.293
LON-WEI-adc59df6-5
0.292
LON-WEI-b8d98729-22
0.292
LON-WEI-adc59df6-61
0.292
LON-WEI-adc59df6-27
0.291
LON-WEI-adc59df6-43
0.291
LON-WEI-adc59df6-4
0.291
LON-WEI-b8d98729-28
0.291
LON-WEI-adc59df6-29
0.290
LON-WEI-adc59df6-33
0.290
MAR-TRE-f5c2d31c-60
0.289
LON-WEI-adc59df6-30
0.289
LON-WEI-adc59df6-50
0.289
LON-WEI-adc59df6-38
0.288
LON-WEI-adc59df6-49
0.287
LON-WEI-adc59df6-57
0.287
LON-WEI-babf2c61-7
0.287
LON-WEI-adc59df6-11
0.286
LON-WEI-adc59df6-42
0.284
LON-WEI-adc59df6-1
0.283
LON-WEI-adc59df6-55
0.283
LON-WEI-adc59df6-44
0.283
LON-WEI-adc59df6-48
0.281